[1-[3-(4-azanylpyridin-1-ium-1-yl)propyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide

Systemtic Name: [1-[3-(4-azanylpyridin-1-ium-1-yl)propyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-[3-(4-aminopyridin-1-ium-1-yl)propyl]-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[3-(4-amino-1-pyridin-1-iumyl)propyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-[3-(4-aminopyridin-1-ium-1-yl)propyl]pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: [1-[3-(4-aminopyridin-1-ium-1-yl)propyl]-4-pyridylidene]methyl-keto-ammonium dibromide Formula: C14H18Br2N4O MolecularWeight: 418.12692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=CC1=C[NH+]=O)CCC[N+]2=CC=C(C=C2)N.[Br-].[Br-]

Isomeric SMILES

C1=CN(C=CC1=C[NH+]=O)CCC[N+]2=CC=C(C=C2)N.[Br-].[Br-]

InChI

InChI=1S/C14H16N4O.2BrH/c15-14-4-10-18(11-5-14)7-1-6-17-8-2-13(3-9-17)12-16-19;;/h2-5,8-12,15H,1,6-7H2;2*1H